USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0481 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0688 K(o=-0.069,f=-2!) USER MOD Single : A 25 TYR OH : rot -30:sc= -0.792 USER MOD Single : A 30 SER OG : rot -151:sc= -0.357 USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= -0.182 (180deg=-1.63!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.143 K(o=-0.14,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 60 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.0067) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.192 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 30:sc= -0.136 USER MOD Single : A 66 SER OG : rot 35:sc= 1.24 USER MOD Single : A 68 CYS SG : rot 28:sc= 0.025 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.494 6.050 -3.256 1.00 0.00 N ATOM 2 CA GLY A 1 13.080 5.808 -3.478 1.00 0.00 C ATOM 3 C GLY A 1 12.260 7.082 -3.433 1.00 0.00 C ATOM 4 O GLY A 1 12.659 8.063 -2.807 1.00 0.00 O ATOM 0 H1 GLY A 1 15.012 5.924 -4.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.630 7.022 -2.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.854 5.378 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.945 5.326 -4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.710 5.115 -2.723 1.00 0.00 H new ATOM 8 N SER A 2 11.110 7.067 -4.099 1.00 0.00 N ATOM 9 CA SER A 2 10.234 8.232 -4.137 1.00 0.00 C ATOM 10 C SER A 2 9.127 8.113 -3.094 1.00 0.00 C ATOM 11 O SER A 2 8.622 9.117 -2.591 1.00 0.00 O ATOM 12 CB SER A 2 9.622 8.391 -5.530 1.00 0.00 C ATOM 13 OG SER A 2 10.492 9.104 -6.391 1.00 0.00 O ATOM 0 H SER A 2 10.763 6.261 -4.619 1.00 0.00 H new ATOM 0 HA SER A 2 10.833 9.114 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.412 7.408 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.670 8.916 -5.454 1.00 0.00 H new ATOM 0 HG SER A 2 10.079 9.191 -7.275 1.00 0.00 H new ATOM 19 N SER A 3 8.755 6.878 -2.772 1.00 0.00 N ATOM 20 CA SER A 3 7.706 6.626 -1.792 1.00 0.00 C ATOM 21 C SER A 3 8.175 6.994 -0.387 1.00 0.00 C ATOM 22 O SER A 3 9.312 6.716 -0.008 1.00 0.00 O ATOM 23 CB SER A 3 7.283 5.157 -1.832 1.00 0.00 C ATOM 24 OG SER A 3 8.394 4.313 -2.080 1.00 0.00 O ATOM 0 H SER A 3 9.165 6.036 -3.176 1.00 0.00 H new ATOM 0 HA SER A 3 6.849 7.250 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.819 4.883 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.532 5.013 -2.609 1.00 0.00 H new ATOM 0 HG SER A 3 8.098 3.379 -2.099 1.00 0.00 H new ATOM 30 N GLY A 4 7.289 7.622 0.380 1.00 0.00 N ATOM 31 CA GLY A 4 7.630 8.018 1.734 1.00 0.00 C ATOM 32 C GLY A 4 6.810 9.198 2.217 1.00 0.00 C ATOM 33 O GLY A 4 7.010 10.326 1.768 1.00 0.00 O ATOM 0 H GLY A 4 6.342 7.863 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.476 7.173 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.689 8.273 1.779 1.00 0.00 H new ATOM 37 N SER A 5 5.883 8.937 3.133 1.00 0.00 N ATOM 38 CA SER A 5 5.026 9.985 3.674 1.00 0.00 C ATOM 39 C SER A 5 5.846 11.013 4.448 1.00 0.00 C ATOM 40 O SER A 5 7.069 10.909 4.535 1.00 0.00 O ATOM 41 CB SER A 5 3.955 9.380 4.584 1.00 0.00 C ATOM 42 OG SER A 5 2.820 10.224 4.666 1.00 0.00 O ATOM 0 H SER A 5 5.706 8.008 3.516 1.00 0.00 H new ATOM 0 HA SER A 5 4.540 10.489 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.659 8.403 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.367 9.222 5.581 1.00 0.00 H new ATOM 0 HG SER A 5 2.149 9.815 5.252 1.00 0.00 H new ATOM 48 N SER A 6 5.162 12.006 5.008 1.00 0.00 N ATOM 49 CA SER A 6 5.827 13.055 5.772 1.00 0.00 C ATOM 50 C SER A 6 4.983 13.468 6.975 1.00 0.00 C ATOM 51 O SER A 6 3.780 13.215 7.020 1.00 0.00 O ATOM 52 CB SER A 6 6.096 14.270 4.882 1.00 0.00 C ATOM 53 OG SER A 6 5.003 15.171 4.904 1.00 0.00 O ATOM 0 H SER A 6 4.149 12.106 4.947 1.00 0.00 H new ATOM 0 HA SER A 6 6.777 12.661 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.998 14.780 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.280 13.942 3.859 1.00 0.00 H new ATOM 0 HG SER A 6 5.201 15.939 4.329 1.00 0.00 H new ATOM 59 N GLY A 7 5.625 14.107 7.948 1.00 0.00 N ATOM 60 CA GLY A 7 4.920 14.546 9.138 1.00 0.00 C ATOM 61 C GLY A 7 5.735 14.350 10.401 1.00 0.00 C ATOM 62 O GLY A 7 6.800 13.732 10.372 1.00 0.00 O ATOM 0 H GLY A 7 6.621 14.328 7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.662 15.600 9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.983 13.996 9.225 1.00 0.00 H new ATOM 66 N LEU A 8 5.237 14.879 11.513 1.00 0.00 N ATOM 67 CA LEU A 8 5.928 14.761 12.792 1.00 0.00 C ATOM 68 C LEU A 8 5.656 13.405 13.436 1.00 0.00 C ATOM 69 O LEU A 8 4.530 12.908 13.406 1.00 0.00 O ATOM 70 CB LEU A 8 5.491 15.883 13.736 1.00 0.00 C ATOM 71 CG LEU A 8 5.724 17.310 13.236 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.340 18.319 14.307 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.174 17.498 12.817 1.00 0.00 C ATOM 0 H LEU A 8 4.357 15.394 11.555 1.00 0.00 H new ATOM 0 HA LEU A 8 6.999 14.846 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.428 15.762 13.945 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.018 15.760 14.682 1.00 0.00 H new ATOM 0 HG LEU A 8 5.091 17.478 12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.512 19.329 13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.286 18.200 14.558 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.946 18.153 15.198 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.321 18.519 12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.826 17.311 13.670 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.415 16.799 12.016 1.00 0.00 H new ATOM 85 N ARG A 9 6.693 12.813 14.018 1.00 0.00 N ATOM 86 CA ARG A 9 6.565 11.516 14.670 1.00 0.00 C ATOM 87 C ARG A 9 7.264 11.517 16.026 1.00 0.00 C ATOM 88 O ARG A 9 8.385 12.009 16.157 1.00 0.00 O ATOM 89 CB ARG A 9 7.152 10.416 13.783 1.00 0.00 C ATOM 90 CG ARG A 9 6.616 10.430 12.360 1.00 0.00 C ATOM 91 CD ARG A 9 5.147 10.042 12.315 1.00 0.00 C ATOM 92 NE ARG A 9 4.565 10.254 10.992 1.00 0.00 N ATOM 93 CZ ARG A 9 3.352 9.838 10.647 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.596 9.190 11.523 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.893 10.070 9.424 1.00 0.00 N ATOM 0 H ARG A 9 7.632 13.211 14.051 1.00 0.00 H new ATOM 0 HA ARG A 9 5.504 11.320 14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.236 10.524 13.755 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.939 9.446 14.233 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.744 11.424 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.195 9.741 11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.040 8.994 12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.595 10.626 13.052 1.00 0.00 H new ATOM 0 HE ARG A 9 5.121 10.749 10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.946 9.010 12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.665 8.871 11.256 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.472 10.568 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.961 9.750 9.160 1.00 0.00 H new ATOM 109 N ARG A 10 6.595 10.963 17.032 1.00 0.00 N ATOM 110 CA ARG A 10 7.151 10.902 18.378 1.00 0.00 C ATOM 111 C ARG A 10 7.568 9.477 18.730 1.00 0.00 C ATOM 112 O ARG A 10 6.921 8.512 18.323 1.00 0.00 O ATOM 113 CB ARG A 10 6.131 11.413 19.398 1.00 0.00 C ATOM 114 CG ARG A 10 6.045 12.929 19.466 1.00 0.00 C ATOM 115 CD ARG A 10 4.685 13.388 19.968 1.00 0.00 C ATOM 116 NE ARG A 10 3.678 13.375 18.911 1.00 0.00 N ATOM 117 CZ ARG A 10 3.666 14.233 17.897 1.00 0.00 C ATOM 118 NH1 ARG A 10 4.603 15.166 17.803 1.00 0.00 N ATOM 119 NH2 ARG A 10 2.716 14.157 16.974 1.00 0.00 N ATOM 0 H ARG A 10 5.667 10.550 16.940 1.00 0.00 H new ATOM 0 HA ARG A 10 8.035 11.539 18.408 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.148 11.013 19.148 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.391 11.028 20.384 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.825 13.309 20.126 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.230 13.350 18.478 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.363 12.741 20.784 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.770 14.396 20.375 1.00 0.00 H new ATOM 0 HE ARG A 10 2.944 12.668 18.953 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.335 15.226 18.510 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.592 15.824 17.023 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.994 13.439 17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.707 14.816 16.196 1.00 0.00 H new ATOM 133 N ALA A 11 8.652 9.354 19.488 1.00 0.00 N ATOM 134 CA ALA A 11 9.154 8.047 19.896 1.00 0.00 C ATOM 135 C ALA A 11 10.158 8.177 21.037 1.00 0.00 C ATOM 136 O ALA A 11 10.764 9.231 21.228 1.00 0.00 O ATOM 137 CB ALA A 11 9.787 7.332 18.712 1.00 0.00 C ATOM 0 H ALA A 11 9.200 10.143 19.832 1.00 0.00 H new ATOM 0 HA ALA A 11 8.311 7.456 20.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.157 6.358 19.031 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.042 7.198 17.927 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.615 7.927 18.328 1.00 0.00 H new ATOM 143 N THR A 12 10.329 7.097 21.794 1.00 0.00 N ATOM 144 CA THR A 12 11.257 7.091 22.917 1.00 0.00 C ATOM 145 C THR A 12 12.623 6.559 22.499 1.00 0.00 C ATOM 146 O THR A 12 12.732 5.768 21.561 1.00 0.00 O ATOM 147 CB THR A 12 10.722 6.239 24.084 1.00 0.00 C ATOM 148 OG1 THR A 12 9.955 5.141 23.577 1.00 0.00 O ATOM 149 CG2 THR A 12 9.862 7.078 25.017 1.00 0.00 C ATOM 0 H THR A 12 9.837 6.216 21.649 1.00 0.00 H new ATOM 0 HA THR A 12 11.358 8.125 23.248 1.00 0.00 H new ATOM 0 HB THR A 12 11.574 5.857 24.647 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.620 4.603 24.325 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.496 6.455 25.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.457 7.896 25.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.016 7.486 24.464 1.00 0.00 H new ATOM 157 N VAL A 13 13.664 6.996 23.200 1.00 0.00 N ATOM 158 CA VAL A 13 15.023 6.561 22.902 1.00 0.00 C ATOM 159 C VAL A 13 15.418 5.363 23.758 1.00 0.00 C ATOM 160 O VAL A 13 15.148 5.331 24.958 1.00 0.00 O ATOM 161 CB VAL A 13 16.038 7.698 23.130 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.447 7.229 22.800 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.666 8.918 22.301 1.00 0.00 C ATOM 0 H VAL A 13 13.592 7.651 23.978 1.00 0.00 H new ATOM 0 HA VAL A 13 15.040 6.273 21.851 1.00 0.00 H new ATOM 0 HB VAL A 13 16.011 7.980 24.182 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.150 8.045 22.967 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.709 6.387 23.440 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.492 6.919 21.756 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.393 9.711 22.474 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.663 8.653 21.244 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.674 9.266 22.590 1.00 0.00 H new ATOM 173 N GLU A 14 16.059 4.381 23.133 1.00 0.00 N ATOM 174 CA GLU A 14 16.490 3.180 23.839 1.00 0.00 C ATOM 175 C GLU A 14 17.600 3.504 24.836 1.00 0.00 C ATOM 176 O GLU A 14 17.452 3.284 26.038 1.00 0.00 O ATOM 177 CB GLU A 14 16.976 2.124 22.844 1.00 0.00 C ATOM 178 CG GLU A 14 17.037 0.722 23.427 1.00 0.00 C ATOM 179 CD GLU A 14 18.341 0.447 24.150 1.00 0.00 C ATOM 180 OE1 GLU A 14 19.340 0.129 23.472 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.362 0.551 25.394 1.00 0.00 O ATOM 0 H GLU A 14 16.291 4.393 22.140 1.00 0.00 H new ATOM 0 HA GLU A 14 15.635 2.786 24.388 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.314 2.120 21.978 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.967 2.403 22.486 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.206 0.584 24.119 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.909 -0.006 22.626 1.00 0.00 H new ATOM 188 N CYS A 15 18.710 4.027 24.327 1.00 0.00 N ATOM 189 CA CYS A 15 19.845 4.380 25.171 1.00 0.00 C ATOM 190 C CYS A 15 20.754 5.383 24.468 1.00 0.00 C ATOM 191 O CYS A 15 20.734 5.503 23.243 1.00 0.00 O ATOM 192 CB CYS A 15 20.639 3.127 25.544 1.00 0.00 C ATOM 193 SG CYS A 15 21.545 3.264 27.103 1.00 0.00 S ATOM 0 H CYS A 15 18.848 4.216 23.334 1.00 0.00 H new ATOM 0 HA CYS A 15 19.460 4.841 26.081 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.954 2.281 25.607 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.345 2.906 24.744 1.00 0.00 H new ATOM 0 HG CYS A 15 22.183 2.155 27.333 1.00 0.00 H new ATOM 199 N VAL A 16 21.550 6.103 25.252 1.00 0.00 N ATOM 200 CA VAL A 16 22.467 7.097 24.705 1.00 0.00 C ATOM 201 C VAL A 16 23.756 7.161 25.517 1.00 0.00 C ATOM 202 O VAL A 16 23.742 7.501 26.700 1.00 0.00 O ATOM 203 CB VAL A 16 21.823 8.496 24.673 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.746 9.492 23.986 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.470 8.444 23.979 1.00 0.00 C ATOM 0 H VAL A 16 21.579 6.017 26.268 1.00 0.00 H new ATOM 0 HA VAL A 16 22.698 6.788 23.686 1.00 0.00 H new ATOM 0 HB VAL A 16 21.666 8.829 25.699 1.00 0.00 H new ATOM 0 HG11 VAL A 16 22.275 10.475 23.972 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.689 9.549 24.530 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.936 9.166 22.963 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.029 9.441 23.965 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.599 8.090 22.956 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.811 7.763 24.518 1.00 0.00 H new ATOM 215 N LYS A 17 24.871 6.832 24.873 1.00 0.00 N ATOM 216 CA LYS A 17 26.170 6.853 25.533 1.00 0.00 C ATOM 217 C LYS A 17 27.188 7.632 24.706 1.00 0.00 C ATOM 218 O LYS A 17 27.925 8.465 25.234 1.00 0.00 O ATOM 219 CB LYS A 17 26.671 5.426 25.765 1.00 0.00 C ATOM 220 CG LYS A 17 26.533 4.528 24.548 1.00 0.00 C ATOM 221 CD LYS A 17 26.961 3.102 24.856 1.00 0.00 C ATOM 222 CE LYS A 17 26.458 2.129 23.801 1.00 0.00 C ATOM 223 NZ LYS A 17 27.166 0.821 23.870 1.00 0.00 N ATOM 0 H LYS A 17 24.900 6.548 23.894 1.00 0.00 H new ATOM 0 HA LYS A 17 26.052 7.351 26.495 1.00 0.00 H new ATOM 0 HB2 LYS A 17 27.719 5.462 26.063 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.118 4.986 26.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.498 4.533 24.207 1.00 0.00 H new ATOM 0 HG3 LYS A 17 27.139 4.923 23.733 1.00 0.00 H new ATOM 0 HD2 LYS A 17 28.048 3.051 24.910 1.00 0.00 H new ATOM 0 HD3 LYS A 17 26.579 2.809 25.834 1.00 0.00 H new ATOM 0 HE2 LYS A 17 25.388 1.970 23.934 1.00 0.00 H new ATOM 0 HE3 LYS A 17 26.595 2.564 22.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 26.794 0.186 23.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 28.184 0.969 23.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.015 0.393 24.806 1.00 0.00 H new ATOM 237 N ASP A 18 27.223 7.356 23.407 1.00 0.00 N ATOM 238 CA ASP A 18 28.148 8.033 22.506 1.00 0.00 C ATOM 239 C ASP A 18 27.479 9.231 21.839 1.00 0.00 C ATOM 240 O ASP A 18 26.274 9.435 21.975 1.00 0.00 O ATOM 241 CB ASP A 18 28.660 7.061 21.441 1.00 0.00 C ATOM 242 CG ASP A 18 29.646 6.055 22.002 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.205 6.315 23.087 1.00 0.00 O ATOM 244 OD2 ASP A 18 29.858 5.008 21.354 1.00 0.00 O ATOM 0 H ASP A 18 26.621 6.668 22.954 1.00 0.00 H new ATOM 0 HA ASP A 18 28.992 8.392 23.095 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.815 6.531 21.001 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.137 7.624 20.638 1.00 0.00 H new ATOM 249 N GLN A 19 28.271 10.020 21.120 1.00 0.00 N ATOM 250 CA GLN A 19 27.756 11.199 20.434 1.00 0.00 C ATOM 251 C GLN A 19 26.554 10.841 19.566 1.00 0.00 C ATOM 252 O GLN A 19 25.663 11.664 19.351 1.00 0.00 O ATOM 253 CB GLN A 19 28.850 11.834 19.575 1.00 0.00 C ATOM 254 CG GLN A 19 29.876 12.617 20.377 1.00 0.00 C ATOM 255 CD GLN A 19 31.159 12.859 19.606 1.00 0.00 C ATOM 256 OE1 GLN A 19 31.145 13.445 18.523 1.00 0.00 O ATOM 257 NE2 GLN A 19 32.277 12.407 20.161 1.00 0.00 N ATOM 0 H GLN A 19 29.272 9.864 20.997 1.00 0.00 H new ATOM 0 HA GLN A 19 27.435 11.917 21.189 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.360 11.051 19.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.387 12.499 18.845 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.447 13.575 20.671 1.00 0.00 H new ATOM 0 HG3 GLN A 19 30.105 12.075 21.295 1.00 0.00 H new ATOM 0 HE21 GLN A 19 32.242 11.927 21.060 1.00 0.00 H new ATOM 0 HE22 GLN A 19 33.171 12.540 19.688 1.00 0.00 H new ATOM 266 N PHE A 20 26.535 9.609 19.070 1.00 0.00 N ATOM 267 CA PHE A 20 25.442 9.142 18.224 1.00 0.00 C ATOM 268 C PHE A 20 24.641 8.049 18.924 1.00 0.00 C ATOM 269 O PHE A 20 25.207 7.148 19.541 1.00 0.00 O ATOM 270 CB PHE A 20 25.987 8.619 16.893 1.00 0.00 C ATOM 271 CG PHE A 20 27.048 7.567 17.052 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.381 7.923 17.187 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.713 6.223 17.068 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.359 6.958 17.333 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.687 5.253 17.214 1.00 0.00 C ATOM 276 CZ PHE A 20 29.011 5.621 17.348 1.00 0.00 C ATOM 0 H PHE A 20 27.264 8.915 19.239 1.00 0.00 H new ATOM 0 HA PHE A 20 24.779 9.985 18.031 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.164 8.208 16.309 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.396 9.454 16.324 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.658 8.967 17.178 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.679 5.930 16.965 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.394 7.248 17.435 1.00 0.00 H new ATOM 0 HE2 PHE A 20 27.413 4.208 17.223 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.773 4.865 17.464 1.00 0.00 H new ATOM 286 N GLY A 21 23.318 8.136 18.822 1.00 0.00 N ATOM 287 CA GLY A 21 22.459 7.149 19.450 1.00 0.00 C ATOM 288 C GLY A 21 21.421 6.592 18.496 1.00 0.00 C ATOM 289 O GLY A 21 21.483 6.833 17.290 1.00 0.00 O ATOM 0 H GLY A 21 22.826 8.872 18.316 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.070 6.332 19.834 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.956 7.601 20.305 1.00 0.00 H new ATOM 293 N PHE A 22 20.465 5.843 19.036 1.00 0.00 N ATOM 294 CA PHE A 22 19.411 5.247 18.223 1.00 0.00 C ATOM 295 C PHE A 22 18.040 5.491 18.848 1.00 0.00 C ATOM 296 O PHE A 22 17.901 5.521 20.071 1.00 0.00 O ATOM 297 CB PHE A 22 19.650 3.745 18.061 1.00 0.00 C ATOM 298 CG PHE A 22 20.933 3.415 17.353 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.057 3.614 15.987 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.016 2.908 18.053 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.237 3.311 15.334 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.198 2.603 17.405 1.00 0.00 C ATOM 303 CZ PHE A 22 23.309 2.806 16.043 1.00 0.00 C ATOM 0 H PHE A 22 20.398 5.634 20.032 1.00 0.00 H new ATOM 0 HA PHE A 22 19.433 5.719 17.241 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.657 3.278 19.046 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.817 3.310 17.508 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.223 4.010 15.427 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.935 2.749 19.118 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.321 3.469 14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.034 2.207 17.963 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.232 2.570 15.534 1.00 0.00 H new ATOM 313 N ILE A 23 17.032 5.664 18.000 1.00 0.00 N ATOM 314 CA ILE A 23 15.673 5.904 18.468 1.00 0.00 C ATOM 315 C ILE A 23 14.766 4.719 18.153 1.00 0.00 C ATOM 316 O ILE A 23 14.864 4.116 17.085 1.00 0.00 O ATOM 317 CB ILE A 23 15.076 7.175 17.837 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.969 8.383 18.128 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.667 7.414 18.357 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.597 9.615 17.333 1.00 0.00 C ATOM 0 H ILE A 23 17.131 5.642 16.985 1.00 0.00 H new ATOM 0 HA ILE A 23 15.730 6.038 19.548 1.00 0.00 H new ATOM 0 HB ILE A 23 15.025 7.036 16.757 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.915 8.617 19.191 1.00 0.00 H new ATOM 0 HG13 ILE A 23 17.004 8.120 17.912 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.259 8.316 17.901 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.036 6.562 18.103 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.694 7.535 19.440 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.272 10.431 17.590 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.678 9.399 16.268 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.572 9.904 17.567 1.00 0.00 H new ATOM 332 N ASN A 24 13.881 4.392 19.090 1.00 0.00 N ATOM 333 CA ASN A 24 12.955 3.281 18.912 1.00 0.00 C ATOM 334 C ASN A 24 11.746 3.707 18.085 1.00 0.00 C ATOM 335 O ASN A 24 10.685 4.014 18.629 1.00 0.00 O ATOM 336 CB ASN A 24 12.495 2.750 20.271 1.00 0.00 C ATOM 337 CG ASN A 24 13.548 1.891 20.943 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.305 1.184 20.278 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.602 1.949 22.269 1.00 0.00 N ATOM 0 H ASN A 24 13.786 4.881 19.980 1.00 0.00 H new ATOM 0 HA ASN A 24 13.478 2.488 18.377 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.246 3.589 20.920 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.583 2.167 20.140 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.291 1.393 22.776 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.955 2.549 22.780 1.00 0.00 H new ATOM 346 N TYR A 25 11.914 3.723 16.767 1.00 0.00 N ATOM 347 CA TYR A 25 10.838 4.114 15.864 1.00 0.00 C ATOM 348 C TYR A 25 10.899 3.314 14.566 1.00 0.00 C ATOM 349 O TYR A 25 11.976 3.077 14.021 1.00 0.00 O ATOM 350 CB TYR A 25 10.918 5.610 15.558 1.00 0.00 C ATOM 351 CG TYR A 25 9.819 6.101 14.642 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.487 6.050 15.034 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.113 6.614 13.385 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.480 6.496 14.200 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.113 7.064 12.545 1.00 0.00 C ATOM 356 CZ TYR A 25 7.798 7.003 12.957 1.00 0.00 C ATOM 357 OH TYR A 25 6.799 7.449 12.123 1.00 0.00 O ATOM 0 H TYR A 25 12.785 3.470 16.300 1.00 0.00 H new ATOM 0 HA TYR A 25 9.889 3.902 16.357 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.875 6.167 16.494 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.884 5.828 15.102 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.235 5.655 16.007 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.141 6.662 13.059 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.449 6.448 14.519 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.359 7.461 11.571 1.00 0.00 H new ATOM 0 HH TYR A 25 5.979 6.941 12.295 1.00 0.00 H new ATOM 367 N GLU A 26 9.733 2.902 14.077 1.00 0.00 N ATOM 368 CA GLU A 26 9.653 2.129 12.844 1.00 0.00 C ATOM 369 C GLU A 26 9.379 3.037 11.649 1.00 0.00 C ATOM 370 O GLU A 26 8.321 3.660 11.558 1.00 0.00 O ATOM 371 CB GLU A 26 8.558 1.066 12.952 1.00 0.00 C ATOM 372 CG GLU A 26 8.730 -0.087 11.977 1.00 0.00 C ATOM 373 CD GLU A 26 7.495 -0.963 11.885 1.00 0.00 C ATOM 374 OE1 GLU A 26 6.655 -0.903 12.807 1.00 0.00 O ATOM 375 OE2 GLU A 26 7.370 -1.708 10.891 1.00 0.00 O ATOM 0 H GLU A 26 8.832 3.091 14.516 1.00 0.00 H new ATOM 0 HA GLU A 26 10.614 1.637 12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.545 0.672 13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.590 1.535 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.964 0.309 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.580 -0.695 12.286 1.00 0.00 H new ATOM 382 N VAL A 27 10.341 3.108 10.734 1.00 0.00 N ATOM 383 CA VAL A 27 10.204 3.940 9.544 1.00 0.00 C ATOM 384 C VAL A 27 10.013 3.086 8.296 1.00 0.00 C ATOM 385 O VAL A 27 9.420 3.528 7.313 1.00 0.00 O ATOM 386 CB VAL A 27 11.434 4.846 9.349 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.440 5.967 10.377 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.715 4.031 9.430 1.00 0.00 C ATOM 0 H VAL A 27 11.223 2.600 10.794 1.00 0.00 H new ATOM 0 HA VAL A 27 9.322 4.563 9.693 1.00 0.00 H new ATOM 0 HB VAL A 27 11.379 5.295 8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.316 6.597 10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.537 6.568 10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.471 5.541 11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.574 4.688 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.780 3.552 10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.711 3.268 8.651 1.00 0.00 H new ATOM 398 N GLY A 28 10.519 1.857 8.343 1.00 0.00 N ATOM 399 CA GLY A 28 10.393 0.959 7.209 1.00 0.00 C ATOM 400 C GLY A 28 11.286 -0.259 7.333 1.00 0.00 C ATOM 401 O GLY A 28 10.839 -1.325 7.758 1.00 0.00 O ATOM 0 H GLY A 28 11.014 1.467 9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.356 0.637 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.642 1.497 6.294 1.00 0.00 H new ATOM 405 N ASP A 29 12.551 -0.103 6.960 1.00 0.00 N ATOM 406 CA ASP A 29 13.510 -1.200 7.030 1.00 0.00 C ATOM 407 C ASP A 29 14.314 -1.137 8.325 1.00 0.00 C ATOM 408 O ASP A 29 14.717 -2.165 8.868 1.00 0.00 O ATOM 409 CB ASP A 29 14.453 -1.160 5.827 1.00 0.00 C ATOM 410 CG ASP A 29 15.161 -2.481 5.601 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.128 -3.334 6.512 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.749 -2.662 4.514 1.00 0.00 O ATOM 0 H ASP A 29 12.937 0.772 6.606 1.00 0.00 H new ATOM 0 HA ASP A 29 12.954 -2.137 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.886 -0.898 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.194 -0.375 5.976 1.00 0.00 H new ATOM 417 N SER A 30 14.545 0.078 8.813 1.00 0.00 N ATOM 418 CA SER A 30 15.305 0.276 10.042 1.00 0.00 C ATOM 419 C SER A 30 14.378 0.328 11.252 1.00 0.00 C ATOM 420 O SER A 30 13.575 1.250 11.395 1.00 0.00 O ATOM 421 CB SER A 30 16.125 1.565 9.957 1.00 0.00 C ATOM 422 OG SER A 30 15.289 2.687 9.729 1.00 0.00 O ATOM 0 H SER A 30 14.217 0.939 8.376 1.00 0.00 H new ATOM 0 HA SER A 30 15.982 -0.570 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.684 1.706 10.882 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.856 1.483 9.153 1.00 0.00 H new ATOM 0 HG SER A 30 15.789 3.374 9.241 1.00 0.00 H new ATOM 428 N LYS A 31 14.496 -0.669 12.122 1.00 0.00 N ATOM 429 CA LYS A 31 13.670 -0.739 13.322 1.00 0.00 C ATOM 430 C LYS A 31 13.890 0.485 14.206 1.00 0.00 C ATOM 431 O LYS A 31 13.010 0.876 14.972 1.00 0.00 O ATOM 432 CB LYS A 31 13.986 -2.013 14.110 1.00 0.00 C ATOM 433 CG LYS A 31 13.567 -3.288 13.398 1.00 0.00 C ATOM 434 CD LYS A 31 13.961 -4.524 14.189 1.00 0.00 C ATOM 435 CE LYS A 31 12.938 -4.843 15.269 1.00 0.00 C ATOM 436 NZ LYS A 31 13.201 -4.085 16.524 1.00 0.00 N ATOM 0 H LYS A 31 15.156 -1.440 12.019 1.00 0.00 H new ATOM 0 HA LYS A 31 12.625 -0.760 13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.057 -2.052 14.307 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.486 -1.966 15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.488 -3.282 13.244 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.029 -3.324 12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.056 -5.374 13.514 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.938 -4.369 14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.939 -4.606 14.904 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.954 -5.912 15.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.063 -4.711 17.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.180 -3.733 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.544 -3.281 16.588 1.00 0.00 H new ATOM 450 N LYS A 32 15.069 1.087 14.093 1.00 0.00 N ATOM 451 CA LYS A 32 15.404 2.268 14.878 1.00 0.00 C ATOM 452 C LYS A 32 15.927 3.387 13.983 1.00 0.00 C ATOM 453 O LYS A 32 16.384 3.139 12.866 1.00 0.00 O ATOM 454 CB LYS A 32 16.449 1.920 15.941 1.00 0.00 C ATOM 455 CG LYS A 32 15.970 0.890 16.950 1.00 0.00 C ATOM 456 CD LYS A 32 17.124 0.067 17.496 1.00 0.00 C ATOM 457 CE LYS A 32 16.652 -0.924 18.549 1.00 0.00 C ATOM 458 NZ LYS A 32 15.915 -2.068 17.944 1.00 0.00 N ATOM 0 H LYS A 32 15.809 0.775 13.464 1.00 0.00 H new ATOM 0 HA LYS A 32 14.496 2.615 15.370 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.345 1.544 15.448 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.734 2.829 16.470 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.460 1.394 17.771 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.241 0.230 16.480 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.607 -0.470 16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.873 0.730 17.929 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.511 -1.299 19.105 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.007 -0.414 19.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.610 -2.720 18.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.081 -1.713 17.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.538 -2.571 17.280 1.00 0.00 H new ATOM 472 N LEU A 33 15.860 4.617 14.480 1.00 0.00 N ATOM 473 CA LEU A 33 16.329 5.774 13.726 1.00 0.00 C ATOM 474 C LEU A 33 17.691 6.238 14.232 1.00 0.00 C ATOM 475 O LEU A 33 18.138 5.831 15.304 1.00 0.00 O ATOM 476 CB LEU A 33 15.317 6.917 13.827 1.00 0.00 C ATOM 477 CG LEU A 33 15.250 7.862 12.626 1.00 0.00 C ATOM 478 CD1 LEU A 33 14.881 7.097 11.365 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.253 8.982 12.884 1.00 0.00 C ATOM 0 H LEU A 33 15.485 4.839 15.402 1.00 0.00 H new ATOM 0 HA LEU A 33 16.432 5.479 12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.327 6.487 13.981 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.551 7.505 14.714 1.00 0.00 H new ATOM 0 HG LEU A 33 16.235 8.306 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.838 7.786 10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.632 6.332 11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.908 6.625 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.218 9.645 12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.264 8.557 13.055 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.561 9.548 13.763 1.00 0.00 H new ATOM 491 N PHE A 34 18.344 7.095 13.454 1.00 0.00 N ATOM 492 CA PHE A 34 19.655 7.616 13.823 1.00 0.00 C ATOM 493 C PHE A 34 19.611 9.133 13.983 1.00 0.00 C ATOM 494 O PHE A 34 18.861 9.820 13.290 1.00 0.00 O ATOM 495 CB PHE A 34 20.696 7.233 12.769 1.00 0.00 C ATOM 496 CG PHE A 34 22.033 7.882 12.982 1.00 0.00 C ATOM 497 CD1 PHE A 34 22.306 9.130 12.444 1.00 0.00 C ATOM 498 CD2 PHE A 34 23.017 7.246 13.721 1.00 0.00 C ATOM 499 CE1 PHE A 34 23.536 9.730 12.639 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.248 7.842 13.920 1.00 0.00 C ATOM 501 CZ PHE A 34 24.508 9.085 13.378 1.00 0.00 C ATOM 0 H PHE A 34 17.987 7.443 12.564 1.00 0.00 H new ATOM 0 HA PHE A 34 19.938 7.175 14.779 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.822 6.150 12.772 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.321 7.508 11.783 1.00 0.00 H new ATOM 0 HD1 PHE A 34 21.549 9.639 11.866 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.820 6.273 14.147 1.00 0.00 H new ATOM 0 HE1 PHE A 34 23.737 10.702 12.214 1.00 0.00 H new ATOM 0 HE2 PHE A 34 25.006 7.336 14.499 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.470 9.552 13.532 1.00 0.00 H new ATOM 511 N PHE A 35 20.421 9.648 14.902 1.00 0.00 N ATOM 512 CA PHE A 35 20.475 11.084 15.155 1.00 0.00 C ATOM 513 C PHE A 35 21.811 11.476 15.780 1.00 0.00 C ATOM 514 O PHE A 35 22.498 10.646 16.375 1.00 0.00 O ATOM 515 CB PHE A 35 19.326 11.504 16.075 1.00 0.00 C ATOM 516 CG PHE A 35 19.511 11.071 17.501 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.400 9.736 17.854 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.796 12.000 18.489 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.568 9.336 19.166 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.966 11.605 19.803 1.00 0.00 C ATOM 521 CZ PHE A 35 19.853 10.271 20.141 1.00 0.00 C ATOM 0 H PHE A 35 21.049 9.093 15.484 1.00 0.00 H new ATOM 0 HA PHE A 35 20.375 11.600 14.200 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.224 12.589 16.043 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.395 11.085 15.694 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.180 9.000 17.095 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.886 13.044 18.230 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.476 8.292 19.429 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.187 12.339 20.564 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.987 9.960 21.166 1.00 0.00 H new ATOM 531 N HIS A 36 22.172 12.747 15.639 1.00 0.00 N ATOM 532 CA HIS A 36 23.426 13.251 16.189 1.00 0.00 C ATOM 533 C HIS A 36 23.164 14.231 17.329 1.00 0.00 C ATOM 534 O HIS A 36 22.038 14.690 17.520 1.00 0.00 O ATOM 535 CB HIS A 36 24.250 13.931 15.096 1.00 0.00 C ATOM 536 CG HIS A 36 25.713 14.009 15.410 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.370 15.199 15.641 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.645 13.036 15.532 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.644 14.955 15.890 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.837 13.649 15.831 1.00 0.00 N ATOM 0 H HIS A 36 21.615 13.447 15.149 1.00 0.00 H new ATOM 0 HA HIS A 36 23.988 12.404 16.583 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.116 13.388 14.160 1.00 0.00 H new ATOM 0 HB3 HIS A 36 23.867 14.939 14.937 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.482 11.975 15.416 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.399 15.696 16.105 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.727 13.174 15.983 1.00 0.00 H new ATOM 548 N VAL A 37 24.212 14.547 18.084 1.00 0.00 N ATOM 549 CA VAL A 37 24.095 15.473 19.204 1.00 0.00 C ATOM 550 C VAL A 37 23.802 16.888 18.720 1.00 0.00 C ATOM 551 O VAL A 37 23.222 17.697 19.445 1.00 0.00 O ATOM 552 CB VAL A 37 25.379 15.488 20.055 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.528 14.183 20.822 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.595 15.743 19.178 1.00 0.00 C ATOM 0 H VAL A 37 25.151 14.175 17.940 1.00 0.00 H new ATOM 0 HA VAL A 37 23.265 15.124 19.818 1.00 0.00 H new ATOM 0 HB VAL A 37 25.305 16.299 20.779 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.441 14.213 21.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.670 14.048 21.480 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.580 13.352 20.119 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.494 15.750 19.795 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.675 14.955 18.429 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.489 16.707 18.680 1.00 0.00 H new ATOM 564 N LYS A 38 24.206 17.182 17.489 1.00 0.00 N ATOM 565 CA LYS A 38 23.986 18.499 16.904 1.00 0.00 C ATOM 566 C LYS A 38 22.521 18.688 16.525 1.00 0.00 C ATOM 567 O LYS A 38 22.023 19.813 16.480 1.00 0.00 O ATOM 568 CB LYS A 38 24.872 18.687 15.670 1.00 0.00 C ATOM 569 CG LYS A 38 24.399 17.905 14.457 1.00 0.00 C ATOM 570 CD LYS A 38 25.290 18.153 13.252 1.00 0.00 C ATOM 571 CE LYS A 38 26.515 17.251 13.269 1.00 0.00 C ATOM 572 NZ LYS A 38 27.396 17.490 12.093 1.00 0.00 N ATOM 0 H LYS A 38 24.688 16.525 16.876 1.00 0.00 H new ATOM 0 HA LYS A 38 24.250 19.249 17.650 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.908 19.747 15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.890 18.382 15.914 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.389 16.840 14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.374 18.188 14.217 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.723 17.981 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.605 19.196 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 38 27.079 17.422 14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.198 16.208 13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 28.219 16.856 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.866 17.303 11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.719 18.478 12.097 1.00 0.00 H new ATOM 586 N GLU A 39 21.837 17.581 16.254 1.00 0.00 N ATOM 587 CA GLU A 39 20.429 17.627 15.879 1.00 0.00 C ATOM 588 C GLU A 39 19.593 18.272 16.981 1.00 0.00 C ATOM 589 O GLU A 39 18.965 19.310 16.772 1.00 0.00 O ATOM 590 CB GLU A 39 19.909 16.217 15.588 1.00 0.00 C ATOM 591 CG GLU A 39 20.559 15.566 14.380 1.00 0.00 C ATOM 592 CD GLU A 39 20.334 16.351 13.102 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.449 17.232 13.096 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.043 16.086 12.109 1.00 0.00 O ATOM 0 H GLU A 39 22.235 16.642 16.287 1.00 0.00 H new ATOM 0 HA GLU A 39 20.339 18.233 14.977 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.077 15.589 16.463 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.831 16.262 15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.630 15.467 14.558 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.162 14.558 14.258 1.00 0.00 H new ATOM 601 N VAL A 40 19.590 17.649 18.155 1.00 0.00 N ATOM 602 CA VAL A 40 18.833 18.161 19.291 1.00 0.00 C ATOM 603 C VAL A 40 19.161 19.627 19.553 1.00 0.00 C ATOM 604 O VAL A 40 20.301 20.058 19.383 1.00 0.00 O ATOM 605 CB VAL A 40 19.116 17.346 20.567 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.607 17.326 20.868 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.334 17.911 21.743 1.00 0.00 C ATOM 0 H VAL A 40 20.104 16.788 18.344 1.00 0.00 H new ATOM 0 HA VAL A 40 17.777 18.068 19.037 1.00 0.00 H new ATOM 0 HB VAL A 40 18.789 16.319 20.402 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.788 16.746 21.773 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.141 16.872 20.033 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.962 18.346 21.014 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.545 17.324 22.636 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.628 18.947 21.912 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.267 17.868 21.525 1.00 0.00 H new ATOM 617 N GLN A 41 18.153 20.387 19.970 1.00 0.00 N ATOM 618 CA GLN A 41 18.334 21.805 20.256 1.00 0.00 C ATOM 619 C GLN A 41 17.728 22.170 21.607 1.00 0.00 C ATOM 620 O GLN A 41 17.252 21.302 22.339 1.00 0.00 O ATOM 621 CB GLN A 41 17.700 22.655 19.153 1.00 0.00 C ATOM 622 CG GLN A 41 18.204 22.317 17.759 1.00 0.00 C ATOM 623 CD GLN A 41 17.858 23.384 16.739 1.00 0.00 C ATOM 624 OE1 GLN A 41 18.741 24.039 16.185 1.00 0.00 O ATOM 625 NE2 GLN A 41 16.567 23.564 16.486 1.00 0.00 N ATOM 0 H GLN A 41 17.204 20.045 20.117 1.00 0.00 H new ATOM 0 HA GLN A 41 19.404 22.008 20.292 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.618 22.524 19.181 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.899 23.707 19.357 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.286 22.186 17.790 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.777 21.365 17.443 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.869 22.998 16.969 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.273 24.268 15.809 1.00 0.00 H new ATOM 634 N ASP A 42 17.749 23.458 21.931 1.00 0.00 N ATOM 635 CA ASP A 42 17.201 23.937 23.194 1.00 0.00 C ATOM 636 C ASP A 42 17.973 23.359 24.376 1.00 0.00 C ATOM 637 O ASP A 42 17.436 23.223 25.475 1.00 0.00 O ATOM 638 CB ASP A 42 15.721 23.568 23.306 1.00 0.00 C ATOM 639 CG ASP A 42 14.912 24.629 24.024 1.00 0.00 C ATOM 640 OD1 ASP A 42 14.902 25.787 23.556 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.288 24.302 25.055 1.00 0.00 O ATOM 0 H ASP A 42 18.140 24.189 21.336 1.00 0.00 H new ATOM 0 HA ASP A 42 17.299 25.022 23.215 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.311 23.417 22.308 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.625 22.621 23.837 1.00 0.00 H new ATOM 646 N GLY A 43 19.237 23.019 24.142 1.00 0.00 N ATOM 647 CA GLY A 43 20.062 22.458 25.196 1.00 0.00 C ATOM 648 C GLY A 43 19.406 21.274 25.878 1.00 0.00 C ATOM 649 O GLY A 43 19.356 21.206 27.106 1.00 0.00 O ATOM 0 H GLY A 43 19.704 23.122 23.241 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.019 22.148 24.777 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.273 23.229 25.937 1.00 0.00 H new ATOM 653 N ILE A 44 18.899 20.340 25.080 1.00 0.00 N ATOM 654 CA ILE A 44 18.242 19.154 25.614 1.00 0.00 C ATOM 655 C ILE A 44 19.108 17.913 25.425 1.00 0.00 C ATOM 656 O ILE A 44 19.849 17.805 24.448 1.00 0.00 O ATOM 657 CB ILE A 44 16.875 18.918 24.946 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.032 20.195 24.994 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.145 17.769 25.624 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.679 20.633 26.399 1.00 0.00 C ATOM 0 H ILE A 44 18.931 20.382 24.061 1.00 0.00 H new ATOM 0 HA ILE A 44 18.091 19.330 26.679 1.00 0.00 H new ATOM 0 HB ILE A 44 17.039 18.652 23.902 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.576 20.999 24.497 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.113 20.036 24.430 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.180 17.615 25.140 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.741 16.860 25.542 1.00 0.00 H new ATOM 0 HG23 ILE A 44 15.989 18.007 26.676 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.081 21.544 26.357 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.108 19.847 26.893 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.593 20.825 26.961 1.00 0.00 H new ATOM 672 N GLU A 45 19.009 16.979 26.366 1.00 0.00 N ATOM 673 CA GLU A 45 19.783 15.745 26.301 1.00 0.00 C ATOM 674 C GLU A 45 18.864 14.529 26.237 1.00 0.00 C ATOM 675 O GLU A 45 18.184 14.198 27.210 1.00 0.00 O ATOM 676 CB GLU A 45 20.710 15.634 27.514 1.00 0.00 C ATOM 677 CG GLU A 45 22.023 16.379 27.346 1.00 0.00 C ATOM 678 CD GLU A 45 22.890 16.320 28.589 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.329 16.251 29.702 1.00 0.00 O ATOM 680 OE2 GLU A 45 24.131 16.342 28.447 1.00 0.00 O ATOM 0 H GLU A 45 18.401 17.053 27.182 1.00 0.00 H new ATOM 0 HA GLU A 45 20.386 15.772 25.393 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.193 16.020 28.393 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.921 14.582 27.705 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.572 15.956 26.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 21.817 17.421 27.101 1.00 0.00 H new ATOM 687 N LEU A 46 18.848 13.867 25.085 1.00 0.00 N ATOM 688 CA LEU A 46 18.012 12.687 24.892 1.00 0.00 C ATOM 689 C LEU A 46 18.629 11.467 25.568 1.00 0.00 C ATOM 690 O LEU A 46 19.753 11.074 25.255 1.00 0.00 O ATOM 691 CB LEU A 46 17.818 12.414 23.400 1.00 0.00 C ATOM 692 CG LEU A 46 17.644 13.645 22.509 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.504 13.234 21.052 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.437 14.459 22.954 1.00 0.00 C ATOM 0 H LEU A 46 19.404 14.127 24.271 1.00 0.00 H new ATOM 0 HA LEU A 46 17.041 12.881 25.349 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.677 11.848 23.040 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.943 11.776 23.279 1.00 0.00 H new ATOM 0 HG LEU A 46 18.533 14.268 22.605 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.381 14.123 20.433 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.398 12.695 20.739 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.633 12.589 20.938 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.328 15.331 22.309 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.539 13.844 22.888 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.578 14.785 23.984 1.00 0.00 H new ATOM 706 N GLN A 47 17.885 10.870 26.494 1.00 0.00 N ATOM 707 CA GLN A 47 18.359 9.693 27.212 1.00 0.00 C ATOM 708 C GLN A 47 17.381 8.533 27.061 1.00 0.00 C ATOM 709 O GLN A 47 16.380 8.640 26.352 1.00 0.00 O ATOM 710 CB GLN A 47 18.556 10.019 28.694 1.00 0.00 C ATOM 711 CG GLN A 47 19.649 11.044 28.951 1.00 0.00 C ATOM 712 CD GLN A 47 20.184 10.984 30.368 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.994 9.993 31.074 1.00 0.00 O ATOM 714 NE2 GLN A 47 20.857 12.047 30.793 1.00 0.00 N ATOM 0 H GLN A 47 16.952 11.182 26.764 1.00 0.00 H new ATOM 0 HA GLN A 47 19.316 9.397 26.782 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.617 10.391 29.104 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.797 9.101 29.231 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.468 10.880 28.250 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.258 12.043 28.756 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.991 12.847 30.174 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.240 12.064 31.738 1.00 0.00 H new ATOM 723 N ALA A 48 17.677 7.424 27.731 1.00 0.00 N ATOM 724 CA ALA A 48 16.824 6.244 27.672 1.00 0.00 C ATOM 725 C ALA A 48 15.456 6.525 28.285 1.00 0.00 C ATOM 726 O ALA A 48 15.344 6.793 29.481 1.00 0.00 O ATOM 727 CB ALA A 48 17.491 5.074 28.379 1.00 0.00 C ATOM 0 H ALA A 48 18.502 7.318 28.321 1.00 0.00 H new ATOM 0 HA ALA A 48 16.677 5.984 26.624 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.842 4.200 28.327 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.441 4.850 27.895 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.668 5.333 29.423 1.00 0.00 H new ATOM 733 N GLY A 49 14.417 6.462 27.458 1.00 0.00 N ATOM 734 CA GLY A 49 13.071 6.712 27.938 1.00 0.00 C ATOM 735 C GLY A 49 12.627 8.143 27.701 1.00 0.00 C ATOM 736 O GLY A 49 11.649 8.602 28.289 1.00 0.00 O ATOM 0 H GLY A 49 14.484 6.242 26.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.379 6.033 27.440 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.022 6.491 29.004 1.00 0.00 H new ATOM 740 N ASP A 50 13.350 8.848 26.837 1.00 0.00 N ATOM 741 CA ASP A 50 13.026 10.235 26.524 1.00 0.00 C ATOM 742 C ASP A 50 12.270 10.332 25.203 1.00 0.00 C ATOM 743 O ASP A 50 12.816 10.034 24.141 1.00 0.00 O ATOM 744 CB ASP A 50 14.302 11.077 26.458 1.00 0.00 C ATOM 745 CG ASP A 50 14.802 11.478 27.832 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.427 10.810 28.818 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.567 12.461 27.921 1.00 0.00 O ATOM 0 H ASP A 50 14.163 8.482 26.342 1.00 0.00 H new ATOM 0 HA ASP A 50 12.386 10.620 27.318 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.079 10.514 25.942 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.112 11.973 25.868 1.00 0.00 H new ATOM 752 N GLU A 51 11.010 10.749 25.277 1.00 0.00 N ATOM 753 CA GLU A 51 10.179 10.883 24.087 1.00 0.00 C ATOM 754 C GLU A 51 10.421 12.224 23.401 1.00 0.00 C ATOM 755 O GLU A 51 10.231 13.283 23.999 1.00 0.00 O ATOM 756 CB GLU A 51 8.699 10.745 24.452 1.00 0.00 C ATOM 757 CG GLU A 51 7.826 10.289 23.295 1.00 0.00 C ATOM 758 CD GLU A 51 6.346 10.376 23.612 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.783 11.487 23.521 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.750 9.332 23.950 1.00 0.00 O ATOM 0 H GLU A 51 10.543 11.000 26.148 1.00 0.00 H new ATOM 0 HA GLU A 51 10.451 10.086 23.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.601 10.034 25.272 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.332 11.705 24.816 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.043 10.900 22.419 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.079 9.261 23.037 1.00 0.00 H new ATOM 767 N VAL A 52 10.844 12.171 22.142 1.00 0.00 N ATOM 768 CA VAL A 52 11.113 13.381 21.374 1.00 0.00 C ATOM 769 C VAL A 52 10.417 13.337 20.018 1.00 0.00 C ATOM 770 O VAL A 52 10.080 12.264 19.517 1.00 0.00 O ATOM 771 CB VAL A 52 12.624 13.583 21.156 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.309 13.938 22.467 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.245 12.339 20.540 1.00 0.00 C ATOM 0 H VAL A 52 11.008 11.303 21.632 1.00 0.00 H new ATOM 0 HA VAL A 52 10.722 14.217 21.954 1.00 0.00 H new ATOM 0 HB VAL A 52 12.766 14.412 20.463 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.376 14.077 22.294 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.882 14.860 22.862 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.160 13.132 23.185 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.313 12.500 20.393 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.094 11.489 21.206 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.773 12.135 19.579 1.00 0.00 H new ATOM 783 N GLU A 53 10.205 14.510 19.429 1.00 0.00 N ATOM 784 CA GLU A 53 9.549 14.604 18.130 1.00 0.00 C ATOM 785 C GLU A 53 10.546 14.997 17.044 1.00 0.00 C ATOM 786 O GLU A 53 11.381 15.881 17.242 1.00 0.00 O ATOM 787 CB GLU A 53 8.408 15.623 18.184 1.00 0.00 C ATOM 788 CG GLU A 53 7.807 15.935 16.824 1.00 0.00 C ATOM 789 CD GLU A 53 8.514 17.079 16.122 1.00 0.00 C ATOM 790 OE1 GLU A 53 8.455 18.216 16.636 1.00 0.00 O ATOM 791 OE2 GLU A 53 9.125 16.838 15.061 1.00 0.00 O ATOM 0 H GLU A 53 10.478 15.407 19.830 1.00 0.00 H new ATOM 0 HA GLU A 53 9.140 13.624 17.885 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.624 15.244 18.840 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.778 16.547 18.629 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.854 15.044 16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.753 16.184 16.945 1.00 0.00 H new ATOM 798 N PHE A 54 10.453 14.335 15.896 1.00 0.00 N ATOM 799 CA PHE A 54 11.347 14.613 14.778 1.00 0.00 C ATOM 800 C PHE A 54 10.637 14.391 13.446 1.00 0.00 C ATOM 801 O PHE A 54 9.588 13.750 13.388 1.00 0.00 O ATOM 802 CB PHE A 54 12.591 13.726 14.860 1.00 0.00 C ATOM 803 CG PHE A 54 12.279 12.276 15.098 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.889 11.456 14.051 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.376 11.733 16.369 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.602 10.122 14.267 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.091 10.399 16.591 1.00 0.00 C ATOM 808 CZ PHE A 54 11.702 9.593 15.539 1.00 0.00 C ATOM 0 H PHE A 54 9.767 13.602 15.715 1.00 0.00 H new ATOM 0 HA PHE A 54 11.650 15.658 14.838 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.156 13.820 13.933 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.233 14.088 15.663 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.808 11.865 13.055 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.678 12.359 17.196 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.300 9.494 13.442 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.172 9.987 17.586 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.476 8.551 15.711 1.00 0.00 H new ATOM 818 N SER A 55 11.218 14.926 12.376 1.00 0.00 N ATOM 819 CA SER A 55 10.639 14.790 11.045 1.00 0.00 C ATOM 820 C SER A 55 11.432 13.792 10.207 1.00 0.00 C ATOM 821 O SER A 55 12.662 13.841 10.161 1.00 0.00 O ATOM 822 CB SER A 55 10.603 16.148 10.341 1.00 0.00 C ATOM 823 OG SER A 55 9.909 17.108 11.120 1.00 0.00 O ATOM 0 H SER A 55 12.088 15.457 12.405 1.00 0.00 H new ATOM 0 HA SER A 55 9.620 14.418 11.155 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.620 16.492 10.156 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.119 16.045 9.370 1.00 0.00 H new ATOM 0 HG SER A 55 9.901 17.968 10.649 1.00 0.00 H new ATOM 829 N VAL A 56 10.719 12.886 9.545 1.00 0.00 N ATOM 830 CA VAL A 56 11.354 11.876 8.707 1.00 0.00 C ATOM 831 C VAL A 56 11.926 12.495 7.437 1.00 0.00 C ATOM 832 O VAL A 56 11.182 12.909 6.547 1.00 0.00 O ATOM 833 CB VAL A 56 10.363 10.762 8.321 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.084 9.630 7.606 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.634 10.247 9.554 1.00 0.00 C ATOM 0 H VAL A 56 9.701 12.831 9.573 1.00 0.00 H new ATOM 0 HA VAL A 56 12.165 11.443 9.293 1.00 0.00 H new ATOM 0 HB VAL A 56 9.623 11.178 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.368 8.852 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.555 10.013 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.847 9.212 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.938 9.460 9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.358 9.847 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.084 11.065 10.019 1.00 0.00 H new ATOM 845 N ILE A 57 13.251 12.556 7.359 1.00 0.00 N ATOM 846 CA ILE A 57 13.922 13.124 6.196 1.00 0.00 C ATOM 847 C ILE A 57 14.728 12.063 5.455 1.00 0.00 C ATOM 848 O ILE A 57 15.569 11.382 6.044 1.00 0.00 O ATOM 849 CB ILE A 57 14.859 14.279 6.596 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.119 15.282 7.483 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.410 14.967 5.356 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.906 15.896 6.819 1.00 0.00 C ATOM 0 H ILE A 57 13.881 12.219 8.087 1.00 0.00 H new ATOM 0 HA ILE A 57 13.143 13.510 5.538 1.00 0.00 H new ATOM 0 HB ILE A 57 15.695 13.869 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.807 14.783 8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.807 16.077 7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.070 15.781 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.969 14.247 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.586 15.367 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.431 16.597 7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.214 16.424 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.198 15.110 6.556 1.00 0.00 H new ATOM 864 N LEU A 58 14.469 11.930 4.159 1.00 0.00 N ATOM 865 CA LEU A 58 15.172 10.953 3.335 1.00 0.00 C ATOM 866 C LEU A 58 16.182 11.638 2.419 1.00 0.00 C ATOM 867 O LEU A 58 15.855 12.605 1.732 1.00 0.00 O ATOM 868 CB LEU A 58 14.175 10.148 2.500 1.00 0.00 C ATOM 869 CG LEU A 58 14.775 9.247 1.420 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.839 8.337 2.016 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.687 8.427 0.744 1.00 0.00 C ATOM 0 H LEU A 58 13.778 12.486 3.656 1.00 0.00 H new ATOM 0 HA LEU A 58 15.711 10.277 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.584 9.528 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.486 10.845 2.022 1.00 0.00 H new ATOM 0 HG LEU A 58 15.246 9.879 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.255 7.703 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.633 8.943 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.392 7.713 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.133 7.792 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.187 7.804 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.961 9.096 0.283 1.00 0.00 H new ATOM 883 N ASN A 59 17.409 11.129 2.415 1.00 0.00 N ATOM 884 CA ASN A 59 18.467 11.692 1.582 1.00 0.00 C ATOM 885 C ASN A 59 18.579 10.936 0.262 1.00 0.00 C ATOM 886 O ASN A 59 18.681 9.710 0.244 1.00 0.00 O ATOM 887 CB ASN A 59 19.805 11.649 2.323 1.00 0.00 C ATOM 888 CG ASN A 59 20.000 12.845 3.234 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.084 13.250 3.950 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.198 13.418 3.210 1.00 0.00 N ATOM 0 H ASN A 59 17.696 10.329 2.978 1.00 0.00 H new ATOM 0 HA ASN A 59 18.213 12.730 1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.862 10.734 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.618 11.612 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.388 14.227 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.928 13.049 2.601 1.00 0.00 H new ATOM 897 N GLN A 60 18.561 11.678 -0.841 1.00 0.00 N ATOM 898 CA GLN A 60 18.661 11.078 -2.166 1.00 0.00 C ATOM 899 C GLN A 60 20.115 10.787 -2.524 1.00 0.00 C ATOM 900 O GLN A 60 20.403 9.884 -3.310 1.00 0.00 O ATOM 901 CB GLN A 60 18.040 12.001 -3.216 1.00 0.00 C ATOM 902 CG GLN A 60 16.531 12.137 -3.090 1.00 0.00 C ATOM 903 CD GLN A 60 15.979 13.289 -3.906 1.00 0.00 C ATOM 904 OE1 GLN A 60 15.081 13.107 -4.729 1.00 0.00 O ATOM 905 NE2 GLN A 60 16.514 14.483 -3.682 1.00 0.00 N ATOM 0 H GLN A 60 18.478 12.695 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 60 18.114 10.136 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.494 12.989 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.281 11.622 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.058 11.209 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.269 12.281 -2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.256 14.588 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.183 15.296 -4.201 1.00 0.00 H new ATOM 914 N ARG A 61 21.028 11.559 -1.943 1.00 0.00 N ATOM 915 CA ARG A 61 22.452 11.386 -2.203 1.00 0.00 C ATOM 916 C ARG A 61 22.956 10.072 -1.613 1.00 0.00 C ATOM 917 O ARG A 61 23.705 9.336 -2.256 1.00 0.00 O ATOM 918 CB ARG A 61 23.245 12.557 -1.618 1.00 0.00 C ATOM 919 CG ARG A 61 24.662 12.661 -2.157 1.00 0.00 C ATOM 920 CD ARG A 61 24.679 13.190 -3.582 1.00 0.00 C ATOM 921 NE ARG A 61 24.363 14.614 -3.642 1.00 0.00 N ATOM 922 CZ ARG A 61 24.175 15.279 -4.777 1.00 0.00 C ATOM 923 NH1 ARG A 61 24.271 14.651 -5.940 1.00 0.00 N ATOM 924 NH2 ARG A 61 23.890 16.574 -4.749 1.00 0.00 N ATOM 0 H ARG A 61 20.807 12.310 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 61 22.598 11.360 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.715 13.486 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.284 12.453 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 61 25.249 13.320 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 25.137 11.680 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 61 25.662 13.018 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.960 12.634 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 61 24.282 15.127 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 61 24.490 13.655 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 61 24.126 15.164 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 61 23.815 17.060 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 61 23.746 17.083 -5.621 1.00 0.00 H new ATOM 938 N THR A 62 22.540 9.782 -0.384 1.00 0.00 N ATOM 939 CA THR A 62 22.949 8.559 0.294 1.00 0.00 C ATOM 940 C THR A 62 21.853 7.502 0.230 1.00 0.00 C ATOM 941 O THR A 62 22.065 6.404 -0.283 1.00 0.00 O ATOM 942 CB THR A 62 23.305 8.825 1.769 1.00 0.00 C ATOM 943 OG1 THR A 62 22.194 9.432 2.439 1.00 0.00 O ATOM 944 CG2 THR A 62 24.523 9.730 1.877 1.00 0.00 C ATOM 0 H THR A 62 21.919 10.379 0.162 1.00 0.00 H new ATOM 0 HA THR A 62 23.835 8.192 -0.225 1.00 0.00 H new ATOM 0 HB THR A 62 23.537 7.871 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.476 9.741 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.755 9.904 2.928 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.374 9.254 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.313 10.682 1.390 1.00 0.00 H new ATOM 952 N GLY A 63 20.679 7.840 0.756 1.00 0.00 N ATOM 953 CA GLY A 63 19.567 6.909 0.747 1.00 0.00 C ATOM 954 C GLY A 63 19.251 6.370 2.129 1.00 0.00 C ATOM 955 O GLY A 63 18.829 5.223 2.275 1.00 0.00 O ATOM 0 H GLY A 63 20.479 8.742 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.685 7.406 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.798 6.078 0.080 1.00 0.00 H new ATOM 959 N LYS A 64 19.458 7.199 3.147 1.00 0.00 N ATOM 960 CA LYS A 64 19.193 6.801 4.524 1.00 0.00 C ATOM 961 C LYS A 64 18.221 7.767 5.193 1.00 0.00 C ATOM 962 O LYS A 64 17.803 8.758 4.591 1.00 0.00 O ATOM 963 CB LYS A 64 20.499 6.744 5.320 1.00 0.00 C ATOM 964 CG LYS A 64 21.188 8.090 5.456 1.00 0.00 C ATOM 965 CD LYS A 64 22.678 7.932 5.707 1.00 0.00 C ATOM 966 CE LYS A 64 22.981 7.778 7.190 1.00 0.00 C ATOM 967 NZ LYS A 64 24.300 7.128 7.422 1.00 0.00 N ATOM 0 H LYS A 64 19.809 8.151 3.044 1.00 0.00 H new ATOM 0 HA LYS A 64 18.740 5.810 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.291 6.350 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.180 6.044 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.031 8.673 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.737 8.649 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.049 7.061 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 64 23.208 8.800 5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.970 8.758 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.196 7.186 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.469 7.041 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.302 6.182 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 25.052 7.706 6.994 1.00 0.00 H new ATOM 981 N CYS A 65 17.865 7.474 6.438 1.00 0.00 N ATOM 982 CA CYS A 65 16.941 8.318 7.189 1.00 0.00 C ATOM 983 C CYS A 65 17.570 8.781 8.499 1.00 0.00 C ATOM 984 O CYS A 65 18.483 8.142 9.021 1.00 0.00 O ATOM 985 CB CYS A 65 15.642 7.562 7.472 1.00 0.00 C ATOM 986 SG CYS A 65 15.886 5.902 8.147 1.00 0.00 S ATOM 0 H CYS A 65 18.202 6.658 6.950 1.00 0.00 H new ATOM 0 HA CYS A 65 16.717 9.197 6.584 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.041 8.143 8.172 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.069 7.486 6.548 1.00 0.00 H new ATOM 0 HG CYS A 65 16.992 5.869 8.829 1.00 0.00 H new ATOM 992 N SER A 66 17.077 9.898 9.023 1.00 0.00 N ATOM 993 CA SER A 66 17.594 10.451 10.270 1.00 0.00 C ATOM 994 C SER A 66 16.586 11.406 10.901 1.00 0.00 C ATOM 995 O SER A 66 15.526 11.670 10.334 1.00 0.00 O ATOM 996 CB SER A 66 18.916 11.179 10.019 1.00 0.00 C ATOM 997 OG SER A 66 19.641 11.348 11.225 1.00 0.00 O ATOM 0 H SER A 66 16.320 10.438 8.604 1.00 0.00 H new ATOM 0 HA SER A 66 17.767 9.626 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.516 10.614 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.719 12.152 9.570 1.00 0.00 H new ATOM 0 HG SER A 66 19.500 10.570 11.803 1.00 0.00 H new ATOM 1003 N ALA A 67 16.925 11.922 12.078 1.00 0.00 N ATOM 1004 CA ALA A 67 16.051 12.849 12.785 1.00 0.00 C ATOM 1005 C ALA A 67 16.619 14.264 12.762 1.00 0.00 C ATOM 1006 O ALA A 67 17.822 14.464 12.935 1.00 0.00 O ATOM 1007 CB ALA A 67 15.841 12.387 14.220 1.00 0.00 C ATOM 0 H ALA A 67 17.799 11.714 12.562 1.00 0.00 H new ATOM 0 HA ALA A 67 15.088 12.863 12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.186 13.089 14.736 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.384 11.397 14.220 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.802 12.343 14.733 1.00 0.00 H new ATOM 1013 N CYS A 68 15.747 15.243 12.546 1.00 0.00 N ATOM 1014 CA CYS A 68 16.162 16.640 12.498 1.00 0.00 C ATOM 1015 C CYS A 68 15.321 17.490 13.446 1.00 0.00 C ATOM 1016 O CYS A 68 14.133 17.235 13.635 1.00 0.00 O ATOM 1017 CB CYS A 68 16.046 17.180 11.072 1.00 0.00 C ATOM 1018 SG CYS A 68 17.242 18.476 10.674 1.00 0.00 S ATOM 0 H CYS A 68 14.748 15.095 12.401 1.00 0.00 H new ATOM 0 HA CYS A 68 17.203 16.695 12.816 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.174 16.355 10.371 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.040 17.571 10.924 1.00 0.00 H new ATOM 0 HG CYS A 68 18.309 18.319 11.400 1.00 0.00 H new ATOM 1024 N ASN A 69 15.948 18.500 14.040 1.00 0.00 N ATOM 1025 CA ASN A 69 15.258 19.386 14.970 1.00 0.00 C ATOM 1026 C ASN A 69 14.541 18.586 16.053 1.00 0.00 C ATOM 1027 O ASN A 69 13.401 18.885 16.409 1.00 0.00 O ATOM 1028 CB ASN A 69 14.255 20.265 14.221 1.00 0.00 C ATOM 1029 CG ASN A 69 14.917 21.126 13.163 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.887 21.832 13.439 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.395 21.070 11.943 1.00 0.00 N ATOM 0 H ASN A 69 16.932 18.725 13.894 1.00 0.00 H new ATOM 0 HA ASN A 69 16.003 20.023 15.447 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.502 19.633 13.751 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.735 20.905 14.933 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.799 21.626 11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.590 20.471 11.760 1.00 0.00 H new ATOM 1038 N VAL A 70 15.217 17.567 16.574 1.00 0.00 N ATOM 1039 CA VAL A 70 14.646 16.725 17.618 1.00 0.00 C ATOM 1040 C VAL A 70 14.287 17.545 18.852 1.00 0.00 C ATOM 1041 O VAL A 70 15.146 18.191 19.452 1.00 0.00 O ATOM 1042 CB VAL A 70 15.617 15.602 18.027 1.00 0.00 C ATOM 1043 CG1 VAL A 70 14.937 14.626 18.975 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.146 14.881 16.797 1.00 0.00 C ATOM 0 H VAL A 70 16.161 17.305 16.290 1.00 0.00 H new ATOM 0 HA VAL A 70 13.741 16.280 17.205 1.00 0.00 H new ATOM 0 HB VAL A 70 16.462 16.050 18.550 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.639 13.840 19.253 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.612 15.155 19.871 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.072 14.183 18.482 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.831 14.091 17.105 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.314 14.445 16.245 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.674 15.590 16.159 1.00 0.00 H new ATOM 1054 N TRP A 71 13.012 17.515 19.225 1.00 0.00 N ATOM 1055 CA TRP A 71 12.539 18.256 20.388 1.00 0.00 C ATOM 1056 C TRP A 71 12.008 17.309 21.458 1.00 0.00 C ATOM 1057 O TRP A 71 11.279 16.364 21.157 1.00 0.00 O ATOM 1058 CB TRP A 71 11.447 19.246 19.979 1.00 0.00 C ATOM 1059 CG TRP A 71 10.710 19.834 21.144 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.654 19.280 21.810 1.00 0.00 C ATOM 1061 CD2 TRP A 71 10.974 21.089 21.779 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.245 20.116 22.821 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.039 21.232 22.824 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.910 22.106 21.569 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.014 22.351 23.652 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.884 23.216 22.393 1.00 0.00 C ATOM 1067 CH2 TRP A 71 10.942 23.331 23.424 1.00 0.00 C ATOM 0 H TRP A 71 12.288 16.986 18.739 1.00 0.00 H new ATOM 0 HA TRP A 71 13.383 18.807 20.803 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.896 20.052 19.399 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.735 18.741 19.326 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.206 18.325 21.576 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.475 19.935 23.465 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.640 22.026 20.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.288 22.443 24.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.602 24.008 22.239 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.948 24.210 24.051 1.00 0.00 H new ATOM 1078 N ARG A 72 12.378 17.568 22.708 1.00 0.00 N ATOM 1079 CA ARG A 72 11.939 16.736 23.823 1.00 0.00 C ATOM 1080 C ARG A 72 10.702 17.331 24.490 1.00 0.00 C ATOM 1081 O ARG A 72 10.719 18.475 24.946 1.00 0.00 O ATOM 1082 CB ARG A 72 13.063 16.587 24.849 1.00 0.00 C ATOM 1083 CG ARG A 72 12.996 15.291 25.641 1.00 0.00 C ATOM 1084 CD ARG A 72 13.692 15.424 26.987 1.00 0.00 C ATOM 1085 NE ARG A 72 13.022 16.386 27.858 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.573 16.892 28.955 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.797 16.530 29.314 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.899 17.762 29.697 1.00 0.00 N ATOM 0 H ARG A 72 12.980 18.347 22.974 1.00 0.00 H new ATOM 0 HA ARG A 72 11.682 15.752 23.431 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.023 16.639 24.335 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.026 17.428 25.541 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.954 15.011 25.795 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.460 14.489 25.068 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.722 14.451 27.477 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.725 15.734 26.832 1.00 0.00 H new ATOM 0 HE ARG A 72 12.079 16.686 27.610 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.318 15.861 28.747 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.218 16.920 30.157 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.957 18.042 29.425 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.323 18.150 30.540 1.00 0.00 H new ATOM 1102 N VAL A 73 9.630 16.547 24.544 1.00 0.00 N ATOM 1103 CA VAL A 73 8.385 16.995 25.157 1.00 0.00 C ATOM 1104 C VAL A 73 8.230 16.429 26.564 1.00 0.00 C ATOM 1105 O VAL A 73 7.670 17.079 27.447 1.00 0.00 O ATOM 1106 CB VAL A 73 7.164 16.584 24.312 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.223 17.233 22.938 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.086 15.069 24.193 1.00 0.00 C ATOM 0 H VAL A 73 9.599 15.598 24.171 1.00 0.00 H new ATOM 0 HA VAL A 73 8.431 18.083 25.210 1.00 0.00 H new ATOM 0 HB VAL A 73 6.261 16.934 24.813 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.353 16.931 22.355 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.228 18.317 23.048 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.131 16.916 22.425 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.218 14.795 23.593 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.991 14.695 23.714 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.993 14.630 25.186 1.00 0.00 H new ATOM 1118 N SER A 74 8.729 15.214 26.766 1.00 0.00 N ATOM 1119 CA SER A 74 8.643 14.559 28.065 1.00 0.00 C ATOM 1120 C SER A 74 9.556 15.241 29.080 1.00 0.00 C ATOM 1121 O SER A 74 10.277 16.182 28.749 1.00 0.00 O ATOM 1122 CB SER A 74 9.017 13.081 27.940 1.00 0.00 C ATOM 1123 OG SER A 74 8.601 12.351 29.081 1.00 0.00 O ATOM 0 H SER A 74 9.197 14.663 26.046 1.00 0.00 H new ATOM 0 HA SER A 74 7.614 14.639 28.416 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.555 12.660 27.047 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.096 12.985 27.816 1.00 0.00 H new ATOM 0 HG SER A 74 8.850 11.409 28.976 1.00 0.00 H new ATOM 1129 N GLY A 75 9.518 14.760 30.319 1.00 0.00 N ATOM 1130 CA GLY A 75 10.345 15.335 31.363 1.00 0.00 C ATOM 1131 C GLY A 75 11.425 14.383 31.837 1.00 0.00 C ATOM 1132 O GLY A 75 11.543 13.255 31.357 1.00 0.00 O ATOM 0 H GLY A 75 8.929 13.983 30.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.808 16.250 30.993 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.716 15.615 32.208 1.00 0.00 H new ATOM 1136 N PRO A 76 12.240 14.839 32.801 1.00 0.00 N ATOM 1137 CA PRO A 76 13.331 14.036 33.360 1.00 0.00 C ATOM 1138 C PRO A 76 12.822 12.873 34.204 1.00 0.00 C ATOM 1139 O PRO A 76 12.066 13.069 35.156 1.00 0.00 O ATOM 1140 CB PRO A 76 14.097 15.035 34.231 1.00 0.00 C ATOM 1141 CG PRO A 76 13.089 16.070 34.595 1.00 0.00 C ATOM 1142 CD PRO A 76 12.158 16.173 33.419 1.00 0.00 C ATOM 0 HA PRO A 76 13.939 13.576 32.581 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.508 14.553 35.118 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.935 15.472 33.688 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.548 15.787 35.498 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.569 17.027 34.798 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.141 16.409 33.731 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.469 16.956 32.728 1.00 0.00 H new ATOM 1150 N SER A 77 13.240 11.662 33.850 1.00 0.00 N ATOM 1151 CA SER A 77 12.823 10.467 34.574 1.00 0.00 C ATOM 1152 C SER A 77 13.838 10.104 35.655 1.00 0.00 C ATOM 1153 O SER A 77 13.472 9.640 36.734 1.00 0.00 O ATOM 1154 CB SER A 77 12.650 9.294 33.608 1.00 0.00 C ATOM 1155 OG SER A 77 12.684 8.056 34.297 1.00 0.00 O ATOM 0 H SER A 77 13.867 11.482 33.066 1.00 0.00 H new ATOM 0 HA SER A 77 11.867 10.678 35.053 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.703 9.392 33.077 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.440 9.318 32.857 1.00 0.00 H new ATOM 0 HG SER A 77 12.570 7.322 33.657 1.00 0.00 H new ATOM 1161 N SER A 78 15.115 10.321 35.355 1.00 0.00 N ATOM 1162 CA SER A 78 16.184 10.014 36.298 1.00 0.00 C ATOM 1163 C SER A 78 17.431 10.837 35.991 1.00 0.00 C ATOM 1164 O SER A 78 18.130 10.584 35.011 1.00 0.00 O ATOM 1165 CB SER A 78 16.519 8.522 36.253 1.00 0.00 C ATOM 1166 OG SER A 78 17.170 8.110 37.442 1.00 0.00 O ATOM 0 H SER A 78 15.434 10.708 34.467 1.00 0.00 H new ATOM 0 HA SER A 78 15.838 10.271 37.299 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.605 7.945 36.116 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.158 8.315 35.394 1.00 0.00 H new ATOM 0 HG SER A 78 17.372 7.152 37.389 1.00 0.00 H new ATOM 1172 N GLY A 79 17.704 11.825 36.838 1.00 0.00 N ATOM 1173 CA GLY A 79 18.867 12.671 36.642 1.00 0.00 C ATOM 1174 C GLY A 79 18.915 13.827 37.620 1.00 0.00 C ATOM 1175 O GLY A 79 18.587 14.960 37.269 1.00 0.00 O ATOM 0 H GLY A 79 17.140 12.055 37.657 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.771 12.071 36.749 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.862 13.061 35.624 1.00 0.00 H new TER 1179 GLY A 79